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  1. 1 Open Physics

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  1. 1 2008

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  1. 1 Ghayour R.

  2. 1 Pakkhesal M.

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A symmetry based investigation of the band gap of SWCNTs

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Pakkhesal M., Ghayour R.
Open Physics
|
2008
|
vol. 6
|
issue 4
824-833
EN
In this paper we use symmetry of Single Walled Carbon Nanotubes (SWCNTs) to generate some types of virtual sub-bands that are lower in number than the real sub-bands obtained through conventional-TB. It is shown that the virtual sub-bands maintain the value of band gap. In obtaining the sub bands, the interactions of the nearest and the second and third-nearest neighbors are taken into account. As the consequence of lower number of sub-bands, a significant reduction in computational effort has occurred and made the approach useful.
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